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CHEBI:91408 - N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide

Default Structure
ChEBI IDCHEBI:91408
ChEBI NameN-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC27H36N6O3S
Net Charge0
Average Mass524.691
Monoisotopic Mass524.25696
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKeyJOOXLOJCABQBSG-UHFFFAOYSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide (CHEBI:91408) has role antifibrotic agent (CHEBI:233423)
N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide (CHEBI:91408) has role antineoplastic agent (CHEBI:35610)
N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide (CHEBI:91408) has role renoprotective agent (CHEBI:231911)
N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide (CHEBI:91408) is a sulfonamide (CHEBI:35358)
Synonyms  Source
fedratinibChEMBL
FedratinibChEMBL
SAR-302503ChEMBL
SAR302503ChEMBL
TG-101348ChEMBL
TG101348ChEMBL
Manual XrefsDatabases
LSM-1142LINCS
Citations